(7S,8R)-5-hydroxy-8-(4-hydroxyphenyl)-7-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
| Internal ID | 67621a6a-9cfb-44c6-b541-403265330aca |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | (7S,8R)-5-hydroxy-8-(4-hydroxyphenyl)-7-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=C(C3=C1OC(C(C3=O)OC)C4=CC=C(C=C4)O)O)C=CC(O2)(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=C(C3=C1O[C@@H]([C@@H](C3=O)OC)C4=CC=C(C=C4)O)O)C=CC(O2)(C)C)C |
| InChI | InChI=1S/C26H28O6/c1-14(2)6-11-18-23-17(12-13-26(3,4)32-23)20(28)19-21(29)25(30-5)22(31-24(18)19)15-7-9-16(27)10-8-15/h6-10,12-13,22,25,27-28H,11H2,1-5H3/t22-,25-/m1/s1 |
| InChI Key | ZFWAXSLZAFAJIV-RCZVLFRGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H28O6 |
| Molecular Weight | 436.50 g/mol |
| Exact Mass | 436.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of (7S,8R)-5-hydroxy-8-(4-hydroxyphenyl)-7-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/a9c97b70-863f-11ee-b041-3b63f3607e86.jpg "2D Structure of (7S,8R)-5-hydroxy-8-(4-hydroxyphenyl)-7-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.50% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.38% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.45% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.17% | 91.49% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 94.83% | 91.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.31% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.27% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.98% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.69% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.14% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.95% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.12% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.91% | 97.09% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.88% | 97.28% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.66% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.16% | 91.07% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.32% | 99.17% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.38% | 90.93% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.30% | 94.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Lonchocarpus guatemalensis |
| PubChem | 163106855 |
| LOTUS | LTS0135538 |
| wikiData | Q105374820 |